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	hartrees
Energy at 0K	-194.357623
Energy at 298.15K	-194.365819
HF Energy	-193.857282
Nuclear repulsion energy	160.821962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3097	30.24
2	A'	3210	3080	25.51
3	A'	3145	3017	4.42
4	A'	3137	3010	16.32
5	A'	3128	3002	7.95
6	A'	3094	2969	14.75
7	A'	1713	1644	8.42
8	A'	1554	1491	1.26
9	A'	1513	1452	0.23
10	A'	1393	1336	0.31
11	A'	1355	1300	2.80
12	A'	1261	1210	2.15
13	A'	1226	1176	0.68
14	A'	1151	1104	6.22
15	A'	1043	1001	2.88
16	A'	968	929	28.03
17	A'	843	809	1.20
18	A'	794	762	1.13
19	A'	450	432	1.01
20	A'	275	264	0.70
21	A"	3213	3082	0.13
22	A"	3133	3006	18.95
23	A"	1532	1470	1.91
24	A"	1241	1191	0.67
25	A"	1186	1138	0.49
26	A"	1158	1111	6.41
27	A"	1004	964	15.05
28	A"	961	922	0.91
29	A"	928	890	46.59
30	A"	845	811	13.72
31	A"	668	641	3.29
32	A"	317	304	1.48
33	A"	102	98	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.385	0.289	0.000
C2	0.261	-1.061	0.000
C3	-0.413	-2.234	0.000
C4	0.261	1.457	0.763
C5	0.261	1.457	-0.763
H6	-1.479	0.265	0.000
H7	1.360	-1.070	0.000
H8	0.101	-3.198	0.000
H9	-1.507	-2.271	0.000
H10	-0.393	2.155	1.287
H11	1.203	1.264	1.280
H12	-0.393	2.155	-1.287
H13	1.203	1.264	-1.280

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4967	2.5231	1.5370	1.5370	1.0941	2.2112	3.5203	2.7952	2.2670	2.2603	2.2670	2.2603
C2	1.4967		1.3526	2.6310	2.6310	2.1877	1.0991	2.1423	2.1421	3.5254	2.8162	3.5254	2.8162
C3	2.5231	1.3526		3.8286	3.8286	2.7171	2.1214	1.0922	1.0943	4.5739	4.0600	4.5739	4.0600
C4	1.5370	2.6310	3.8286		1.5250	2.2422	2.8584	4.7191	4.1958	1.0910	1.0918	2.2620	2.2573
C5	1.5370	2.6310	3.8286	1.5250		2.2422	2.8584	4.7191	4.1958	2.2620	2.2573	1.0910	1.0918
H6	1.0941	2.1877	2.7171	2.2422	2.2422		3.1368	3.8063	2.5367	2.5312	3.1346	2.5312	3.1346
H7	2.2112	1.0991	2.1214	2.8584	2.8584	3.1368		2.4726	3.1085	3.8891	2.6656	3.8891	2.6656
H8	3.5203	2.1423	1.0922	4.7191	4.7191	3.8063	2.4726		1.8557	5.5273	4.7702	5.5273	4.7702
H9	2.7952	2.1421	1.0943	4.1958	4.1958	2.5367	3.1085	1.8557		4.7422	4.6342	4.7422	4.6342
H10	2.2670	3.5254	4.5739	1.0910	2.2620	2.5312	3.8891	5.5273	4.7422		1.8277	2.5748	3.1513
H11	2.2603	2.8162	4.0600	1.0918	2.2573	3.1346	2.6656	4.7702	4.6342	1.8277		3.1513	2.5594
H12	2.2670	3.5254	4.5739	2.2620	1.0910	2.5312	3.8891	5.5273	4.7422	2.5748	3.1513		1.8277
H13	2.2603	2.8162	4.0600	2.2573	1.0918	3.1346	2.6656	4.7702	4.6342	3.1513	2.5594	1.8277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.555	C1	C2	H7	115.981
C1	C4	C5	60.258	C1	C4	H10	118.234
C1	C4	H11	117.592	C1	C5	C4	60.258
C1	C5	H12	118.234	C1	C5	H13	117.592
C2	C1	C4	120.276	C2	C1	C5	120.276
C2	C1	H6	114.323	C2	C3	H8	122.026
C2	C3	H9	121.831	C3	C2	H7	119.464
C4	C1	H6	115.880	C4	C5	H12	118.757
C4	C5	H13	118.276	C5	C1	H6	115.880
C5	C4	H10	118.757	C5	C4	H11	118.276
H8	C3	H9	116.144	H10	C4	H11	113.718
H12	C5	H13	113.718

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)

using model chemistry: CCD/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H8 (Ethenylcyclopropane)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₅H₈ (Ethenylcyclopropane)